cyclopropylmethyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]-propylammonium IUPAC Name: cyclopropylmethyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]-propylazanium Traditional Name: cyclopropylmethyl-[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-propyl-ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCC(CC3)O)O)OC

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)O)O)OC

InChI

InChI=1S/C23H38N2O4/c1-3-10-25(14-18-4-5-18)15-19-6-7-22(23(13-19)28-2)29-17-21(27)16-24-11-8-20(26)9-12-24/h6-7,13,18,20-21,26-27H,3-5,8-12,14-17H2,1-2H3/p+2/t21-/m0/s1